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Information card for entry 4511128
Preview
| Coordinates | 4511128.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H5 Cu N6 S |
|---|---|
| Calculated formula | C7 H5 Cu N6 S |
| Title of publication | Solvothermal Synthesis and Diverse Coordinate Structures of a Series of Luminescent Copper(I) Thiocyanate Coordination Polymers Based on N-Heterocyclic Ligands |
| Authors of publication | Li, Ming-Xing; Wang, Hui; Liang, Sheng-Wen; Shao, Min; He, Xiang; Wang, Zhao-Xi; Zhu, Shou-Rong |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 11 |
| Pages of publication | 4626 - 4633 |
| a | 5.7243 ± 0.0007 Å |
| b | 17.842 ± 0.002 Å |
| c | 9.1778 ± 0.0011 Å |
| α | 90° |
| β | 99.999 ± 0.002° |
| γ | 90° |
| Cell volume | 923.12 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0623 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179658 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/11. |
4511128.cif |
| 132558 | 2015-02-28 | cif/4/51/ (antanas@koala.ibt.lt) Removing trailing "glued" text strings from the values of '_refine_diff_density_rms' tag for CIFs 451112[6-9], 451113[01]. |
4511128.cif |
| 114710 | 2014-05-29 | cif/ Adding structures of 4511126, 4511127, 4511128, 4511129, 4511130, 4511131 via cif-deposit CGI script. |
4511128.cif |
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Users of the data should acknowledge the original authors of the
structural data.